N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H13N3O2S — CID 129432020

IUPACN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C/C=C/c2ccco2)cs1
InChIInChI=1S/C13H13N3O2S/c1-10-15-11(9-19-10)8-13(17)16-14-6-2-4-12-5-3-7-18-12/h2-7,9H,8H2,1H3,(H,16,17)/b4-2+,14-6?
InChIKeyNIZJFXIAUHLRFS-IMPYLRRLSA-N
MW275.33 g/mol
LogP2.40
Rot. Bonds5

About N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 129432020) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID129432020
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C/C=C/c2ccco2)cs1
InChIInChI=1S/C13H13N3O2S/c1-10-15-11(9-19-10)8-13(17)16-14-6-2-4-12-5-3-7-18-12/h2-7,9H,8H2,1H3,(H,16,17)/b4-2+,14-6?
InChIKeyNIZJFXIAUHLRFS-IMPYLRRLSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6808432
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CID 6842495
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4007901
2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 110337026
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 129439178
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6866182
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 129432020) is N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NN=C/C=C/c2ccco2)cs1.
What is the InChIKey of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NIZJFXIAUHLRFS-IMPYLRRLSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-10-15-11(9-19-10)8-13(17)16-14-6-2-4-12-5-3-7-18-12/h2-7,9H,8H2,1H3,(H,16,17)/b4-2+,14-6?.
What are the key properties of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 129432020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).